Primary record
Ibrexafungerp
- CAS
- 1207753-03-4
- PubChem CID
- 46871657
- SMILES
- C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C
- Molecular Formula
- C44H67N5O4
- Molecular Weight
- 730.051
- Exact Mass
- 729.5193
- InChI
- InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1
- InChIKey
- BODYFEUFKHPRCK-ZCZMVWJSSA-N
- LogP
- 8.6184
- TPSA
- 125.38
Names and synonyms
- Ibrexafungerp
- brexafemme
- ibrexafungerpum
- Enfumafungin
- SCY-078
- Ibrexafungerp [USAN]
- MK-3118
- Ibrexafungerp citrate
- A92JFM5XNU
- Ibrexafungerp (USAN)
- RefChem:56932
- MK-3118 FREE BASE
- UNII-A92JFM5XNU
- 1207753-03-4
- D0GW6Q
- IBREXAFUNGERP [INN]
- IBREXAFUNGERP [WHO-DD]
- MK3118
- DTXSID901336871
- orb1699944
- SCHEMBL3479266
- SCY078
- CHEMBL4297513
- MK 3118
- SCY 078
- BODYFEUFKHPRCK-ZCZMVWJSSA-N
- DTXCID401767166
- GLXC-15579
- GLXC-23265
- EX-A7291